SCHEMBL28265749

SCHEMBL28265749

Cc1ccc2c(c1)cc(C(=O)OBr)n2C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.57
▸ MAPT P10636 6/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ LMNA P02545 9/20 0.53
▸ TP53 P04637 6/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ MCL1 Q07820 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7877590 0.86 L3MBTL1 (0.72) THRBMAPTL3MBTL1LMNATP53
SCHEMBL11529770 0.83 MAPT (0.67) THRBMAPTL3MBTL1LMNATP53
SCHEMBL28868200 0.81 MCL1 (0.65) MAPTL3MBTL1MEN1KMT2AMCL1
SCHEMBL30547707 0.80 KDM4E (0.68) THRBMAPTL3MBTL1LMNATP53
SCHEMBL5599830 0.80 KDM4E (0.68) THRBMAPTL3MBTL1LMNATP53
SCHEMBL9613264 0.79 THRB (0.61) THRBMAPTL3MBTL1LMNATP53
SCHEMBL12868305 0.76 THRB (0.58) THRBMAPTL3MBTL1LMNATP53
SCHEMBL28264529 0.76 MCL1 (0.61) THRBMAPTL3MBTL1GFERMCL1
SCHEMBL7881270 0.73 L3MBTL1 (0.59) THRBMAPTL3MBTL1LMNATP53
SCHEMBL28264535 0.72 MEN1 (0.50) THRBMAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153643-A Substituted indole MCL-1 inhibitors 范德比尔特大学 2019-01-04 — — CN disclosed
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